N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide

C24H29F2N7O2 — CID 174225167

IUPACN-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide
SMILESCCN(C(=O)C(C)N1CCOCC1)c1cnc2nc(-c3n[nH]c4c3C[C@@H]3C(F)(F)[C@]3(C)C4)[nH]c2c1
InChIInChI=1S/C24H29F2N7O2/c1-4-33(22(34)13(2)32-5-7-35-8-6-32)14-9-16-20(27-12-14)29-21(28-16)19-15-10-18-23(3,24(18,25)26)11-17(15)30-31-19/h9,12-13,18H,4-8,10-11H2,1-3H3,(H,30,31)(H,27,28,29)/t13?,18-,23+/m0/s1
InChIKeyDDIRSAAXOKCCHD-LZOSXTJKSA-N
MW485.54 g/mol
LogP2.79
Rot. Bonds5

About N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide

N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide (PubChem CID 174225167) has the molecular formula C24H29F2N7O2 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide
PubChem CID174225167
Molecular FormulaC24H29F2N7O2
Molecular Weight485.54 g/mol
Exact Mass485.24
IUPAC NameN-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide
SMILESCCN(C(=O)C(C)N1CCOCC1)c1cnc2nc(-c3n[nH]c4c3C[C@@H]3C(F)(F)[C@]3(C)C4)[nH]c2c1
InChIInChI=1S/C24H29F2N7O2/c1-4-33(22(34)13(2)32-5-7-35-8-6-32)14-9-16-20(27-12-14)29-21(28-16)19-15-10-18-23(3,24(18,25)26)11-17(15)30-31-19/h9,12-13,18H,4-8,10-11H2,1-3H3,(H,30,31)(H,27,28,29)/t13?,18-,23+/m0/s1
InChIKeyDDIRSAAXOKCCHD-LZOSXTJKSA-N
XLogP2.79
TPSA103.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide?
The IUPAC name of N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide (CID 174225167) is N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide is CCN(C(=O)C(C)N1CCOCC1)c1cnc2nc(-c3n[nH]c4c3C[C@@H]3C(F)(F)[C@]3(C)C4)[nH]c2c1.
What is the InChIKey of N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide?
The InChIKey is DDIRSAAXOKCCHD-LZOSXTJKSA-N. The full InChI is InChI=1S/C24H29F2N7O2/c1-4-33(22(34)13(2)32-5-7-35-8-6-32)14-9-16-20(27-12-14)29-21(28-16)19-15-10-18-23(3,24(18,25)26)11-17(15)30-31-19/h9,12-13,18H,4-8,10-11H2,1-3H3,(H,30,31)(H,27,28,29)/t13?,18-,23+/m0/s1.
What are the key properties of N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide?
N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide has a molecular weight of 485.54 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 174225167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).