N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide

C21H17F2N9O2 — CID 168880265

IUPACN-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide
SMILESCn1c(Nc2cc3n(n2)CCCC3(F)F)nc2ncc(Oc3ccnc(NC=O)c3)c(C#N)c21
InChIInChI=1S/C21H17F2N9O2/c1-31-18-13(9-24)14(34-12-3-5-25-16(7-12)27-11-33)10-26-19(18)29-20(31)28-17-8-15-21(22,23)4-2-6-32(15)30-17/h3,5,7-8,10-11H,2,4,6H2,1H3,(H,25,27,33)(H,26,28,29,30)
InChIKeyVLUBBKMVJYXMRR-UHFFFAOYSA-N
MW465.42 g/mol
LogP3.42
Rot. Bonds6

About N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide

N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide (PubChem CID 168880265) has the molecular formula C21H17F2N9O2 and a molecular weight of 465.42 g/mol. Its IUPAC name is N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide
PubChem CID168880265
Molecular FormulaC21H17F2N9O2
Molecular Weight465.42 g/mol
Exact Mass465.15
IUPAC NameN-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide
SMILESCn1c(Nc2cc3n(n2)CCCC3(F)F)nc2ncc(Oc3ccnc(NC=O)c3)c(C#N)c21
InChIInChI=1S/C21H17F2N9O2/c1-31-18-13(9-24)14(34-12-3-5-25-16(7-12)27-11-33)10-26-19(18)29-20(31)28-17-8-15-21(22,23)4-2-6-32(15)30-17/h3,5,7-8,10-11H,2,4,6H2,1H3,(H,25,27,33)(H,26,28,29,30)
InChIKeyVLUBBKMVJYXMRR-UHFFFAOYSA-N
XLogP3.42
TPSA135.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide?
The IUPAC name of N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide (CID 168880265) is N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide.
What is the SMILES notation for N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide?
The canonical SMILES for N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide is Cn1c(Nc2cc3n(n2)CCCC3(F)F)nc2ncc(Oc3ccnc(NC=O)c3)c(C#N)c21.
What is the InChIKey of N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide?
The InChIKey is VLUBBKMVJYXMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N9O2/c1-31-18-13(9-24)14(34-12-3-5-25-16(7-12)27-11-33)10-26-19(18)29-20(31)28-17-8-15-21(22,23)4-2-6-32(15)30-17/h3,5,7-8,10-11H,2,4,6H2,1H3,(H,25,27,33)(H,26,28,29,30).
What are the key properties of N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide?
N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide has a molecular weight of 465.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]formamide is sourced from PubChem (CID 168880265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).