7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine

C20H16ClF2N9O — CID 167134646

IUPAC7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine
SMILESCn1c(Nc2cc3n(n2)CCCC3(F)F)nc2ncc(Oc3cnn4ccncc34)c(Cl)c21
InChIInChI=1S/C20H16ClF2N9O/c1-30-17-16(21)13(33-12-10-26-31-6-4-24-8-11(12)31)9-25-18(17)28-19(30)27-15-7-14-20(22,23)3-2-5-32(14)29-15/h4,6-10H,2-3,5H2,1H3,(H,25,27,28,29)
InChIKeyONMBXHQPIQGHSU-UHFFFAOYSA-N
MW471.86 g/mol
LogP4.28
Rot. Bonds4

About 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine

7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine (PubChem CID 167134646) has the molecular formula C20H16ClF2N9O and a molecular weight of 471.86 g/mol. Its IUPAC name is 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine
PubChem CID167134646
Molecular FormulaC20H16ClF2N9O
Molecular Weight471.86 g/mol
Exact Mass471.11
IUPAC Name7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine
SMILESCn1c(Nc2cc3n(n2)CCCC3(F)F)nc2ncc(Oc3cnn4ccncc34)c(Cl)c21
InChIInChI=1S/C20H16ClF2N9O/c1-30-17-16(21)13(33-12-10-26-31-6-4-24-8-11(12)31)9-25-18(17)28-19(30)27-15-7-14-20(22,23)3-2-5-32(14)29-15/h4,6-10H,2-3,5H2,1H3,(H,25,27,28,29)
InChIKeyONMBXHQPIQGHSU-UHFFFAOYSA-N
XLogP4.28
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.86
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine (CID 167134646) is 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine is Cn1c(Nc2cc3n(n2)CCCC3(F)F)nc2ncc(Oc3cnn4ccncc34)c(Cl)c21.
What is the InChIKey of 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine?
The InChIKey is ONMBXHQPIQGHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N9O/c1-30-17-16(21)13(33-12-10-26-31-6-4-24-8-11(12)31)9-25-18(17)28-19(30)27-15-7-14-20(22,23)3-2-5-32(14)29-15/h4,6-10H,2-3,5H2,1H3,(H,25,27,28,29).
What are the key properties of 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine?
7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine has a molecular weight of 471.86 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 167134646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).