[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

C33H30F4N6O2 — CID 156828846

IUPAC[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(-c4ccc(OC(F)F)c(F)c4)nc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)cc(F)c12
InChIInChI=1S/C33H30F4N6O2/c1-16-29(40-43-15-21(11-23(35)30(16)43)32(44)42-14-20-5-8-25(42)28(20)38)26-12-19-4-7-24(39-31(19)41(26)13-17-2-3-17)18-6-9-27(22(34)10-18)45-33(36)37/h4,6-7,9-12,15,17,20,25,28,33H,2-3,5,8,13-14,38H2,1H3/t20?,25?,28-/m1/s1
InChIKeyGDOMBMVTELLZRR-QZPZUKOXSA-N
MW618.64 g/mol
LogP6.18
Rot. Bonds7

About [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156828846) has the molecular formula C33H30F4N6O2 and a molecular weight of 618.64 g/mol. Its IUPAC name is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156828846
Molecular FormulaC33H30F4N6O2
Molecular Weight618.64 g/mol
Exact Mass618.24
IUPAC Name[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3ccc(-c4ccc(OC(F)F)c(F)c4)nc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)cc(F)c12
InChIInChI=1S/C33H30F4N6O2/c1-16-29(40-43-15-21(11-23(35)30(16)43)32(44)42-14-20-5-8-25(42)28(20)38)26-12-19-4-7-24(39-31(19)41(26)13-17-2-3-17)18-6-9-27(22(34)10-18)45-33(36)37/h4,6-7,9-12,15,17,20,25,28,33H,2-3,5,8,13-14,38H2,1H3/t20?,25?,28-/m1/s1
InChIKeyGDOMBMVTELLZRR-QZPZUKOXSA-N
XLogP6.18
TPSA90.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.64
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The IUPAC name of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156828846) is [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.
What is the SMILES notation for [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The canonical SMILES for [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is Cc1c(-c2cc3ccc(-c4ccc(OC(F)F)c(F)c4)nc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)cc(F)c12.
What is the InChIKey of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is GDOMBMVTELLZRR-QZPZUKOXSA-N. The full InChI is InChI=1S/C33H30F4N6O2/c1-16-29(40-43-15-21(11-23(35)30(16)43)32(44)42-14-20-5-8-25(42)28(20)38)26-12-19-4-7-24(39-31(19)41(26)13-17-2-3-17)18-6-9-27(22(34)10-18)45-33(36)37/h4,6-7,9-12,15,17,20,25,28,33H,2-3,5,8,13-14,38H2,1H3/t20?,25?,28-/m1/s1.
What are the key properties of [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 618.64 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[4-(difluoromethoxy)-3-fluorophenyl]pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156828846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).