N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-[2-[2-[1-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]azetidin-3-yl]oxy-2-methylpropyl]cyclopropyl]pyridine-3-carboxamide

C51H48F2N14O3 — CID 166864771

IUPACN-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-[2-[2-[1-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]azetidin-3-yl]oxy-2-methylpropyl]cyclopropyl]pyridine-3-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(C6CC6CC(C)(C)OC6CN(C(=O)NCc7ccc(-c8ccnc9nc(-c%10cnn(C)c%10)[nH]c89)cc7F)C6)nc5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C51H48F2N14O3/c1-51(2,70-36-26-67(27-36)50(69)58-20-31-8-6-29(17-41(31)53)38-12-14-55-48-44(38)62-46(64-48)35-23-60-66(4)25-35)18-33-15-39(33)42-10-9-32(21-56-42)49(68)57-19-30-7-5-28(16-40(30)52)37-11-13-54-47-43(37)61-45(63-47)34-22-59-65(3)24-34/h5-14,16-17,21-25,33,36,39H,15,18-20,26-27H2,1-4H3,(H,57,68)(H,58,69)(H,54,61,63)(H,55,62,64)
InChIKeyZWSAIJOFKWXFHO-UHFFFAOYSA-N
MW943.04 g/mol
LogP7.85
Rot. Bonds14

About N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-[2-[2-[1-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]azetidin-3-yl]oxy-2-methylpropyl]cyclopropyl]pyridine-3-carboxamide

N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-[2-[2-[1-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]azetidin-3-yl]oxy-2-methylpropyl]cyclopropyl]pyridine-3-carboxamide (PubChem CID 166864771) has the molecular formula C51H48F2N14O3 and a molecular weight of 943.04 g/mol. Its IUPAC name is N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-[2-[2-[1-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]azetidin-3-yl]oxy-2-methylpropyl]cyclopropyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-[2-[2-[1-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]azetidin-3-yl]oxy-2-methylpropyl]cyclopropyl]pyridine-3-carboxamide
PubChem CID166864771
Molecular FormulaC51H48F2N14O3
Molecular Weight943.04 g/mol
Exact Mass942.40
IUPAC NameN-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-[2-[2-[1-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]azetidin-3-yl]oxy-2-methylpropyl]cyclopropyl]pyridine-3-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(C6CC6CC(C)(C)OC6CN(C(=O)NCc7ccc(-c8ccnc9nc(-c%10cnn(C)c%10)[nH]c89)cc7F)C6)nc5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C51H48F2N14O3/c1-51(2,70-36-26-67(27-36)50(69)58-20-31-8-6-29(17-41(31)53)38-12-14-55-48-44(38)62-46(64-48)35-23-60-66(4)25-35)18-33-15-39(33)42-10-9-32(21-56-42)49(68)57-19-30-7-5-28(16-40(30)52)37-11-13-54-47-43(37)61-45(63-47)34-22-59-65(3)24-34/h5-14,16-17,21-25,33,36,39H,15,18-20,26-27H2,1-4H3,(H,57,68)(H,58,69)(H,54,61,63)(H,55,62,64)
InChIKeyZWSAIJOFKWXFHO-UHFFFAOYSA-N
XLogP7.85
TPSA202.34 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500943.04
LogP ≤ 57.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-[2-[2-[1-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]azetidin-3-yl]oxy-2-methylpropyl]cyclopropyl]pyridine-3-carboxamide with MolForge

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Related Compounds

CID 121249739
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CID 68163030
CID 68163030
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CID 68760445
CID 155768192
CID 155768192
CID 156166359
CID 156166359
CID 156829736
CID 156829736
CID 158444852
CID 158444852
CID 160151420
CID 160151420
CID 161200047
CID 161200047
CID 161236985
CID 161236985
CID 161560385
CID 161560385

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-[2-[2-[1-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]azetidin-3-yl]oxy-2-methylpropyl]cyclopropyl]pyridine-3-carboxamide?
The IUPAC name of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-[2-[2-[1-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]azetidin-3-yl]oxy-2-methylpropyl]cyclopropyl]pyridine-3-carboxamide (CID 166864771) is N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-[2-[2-[1-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]azetidin-3-yl]oxy-2-methylpropyl]cyclopropyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-[2-[2-[1-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]azetidin-3-yl]oxy-2-methylpropyl]cyclopropyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-[2-[2-[1-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]azetidin-3-yl]oxy-2-methylpropyl]cyclopropyl]pyridine-3-carboxamide is Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(C6CC6CC(C)(C)OC6CN(C(=O)NCc7ccc(-c8ccnc9nc(-c%10cnn(C)c%10)[nH]c89)cc7F)C6)nc5)c(F)c4)c3[nH]2)cn1.
What is the InChIKey of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-[2-[2-[1-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]azetidin-3-yl]oxy-2-methylpropyl]cyclopropyl]pyridine-3-carboxamide?
The InChIKey is ZWSAIJOFKWXFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H48F2N14O3/c1-51(2,70-36-26-67(27-36)50(69)58-20-31-8-6-29(17-41(31)53)38-12-14-55-48-44(38)62-46(64-48)35-23-60-66(4)25-35)18-33-15-39(33)42-10-9-32(21-56-42)49(68)57-19-30-7-5-28(16-40(30)52)37-11-13-54-47-43(37)61-45(63-47)34-22-59-65(3)24-34/h5-14,16-17,21-25,33,36,39H,15,18-20,26-27H2,1-4H3,(H,57,68)(H,58,69)(H,54,61,63)(H,55,62,64).
What are the key properties of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-[2-[2-[1-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]azetidin-3-yl]oxy-2-methylpropyl]cyclopropyl]pyridine-3-carboxamide?
N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-[2-[2-[1-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]azetidin-3-yl]oxy-2-methylpropyl]cyclopropyl]pyridine-3-carboxamide has a molecular weight of 943.04 g/mol, XLogP of 7.85, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-6-[2-[2-[1-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]azetidin-3-yl]oxy-2-methylpropyl]cyclopropyl]pyridine-3-carboxamide is sourced from PubChem (CID 166864771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).