N-[(3R)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-5-fluoro-2-methylbenzamide

C30H31FN6O3 — CID 134435016

IUPACN-[(3R)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)N[C@]1(C)CCN(c2ccc(-c3cc(OCC(C)(C)O)cn4ncc(C#N)c34)cn2)C1
InChIInChI=1S/C30H31FN6O3/c1-19-5-7-22(31)11-24(19)28(38)35-30(4)9-10-36(17-30)26-8-6-20(14-33-26)25-12-23(40-18-29(2,3)39)16-37-27(25)21(13-32)15-34-37/h5-8,11-12,14-16,39H,9-10,17-18H2,1-4H3,(H,35,38)/t30-/m1/s1
InChIKeyRVVDGSDKAGJBET-SSEXGKCCSA-N
MW542.62 g/mol
LogP4.26
Rot. Bonds7

About N-[(3R)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-5-fluoro-2-methylbenzamide

N-[(3R)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-5-fluoro-2-methylbenzamide (PubChem CID 134435016) has the molecular formula C30H31FN6O3 and a molecular weight of 542.62 g/mol. Its IUPAC name is N-[(3R)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[(3R)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-5-fluoro-2-methylbenzamide
PubChem CID134435016
Molecular FormulaC30H31FN6O3
Molecular Weight542.62 g/mol
Exact Mass542.24
IUPAC NameN-[(3R)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)N[C@]1(C)CCN(c2ccc(-c3cc(OCC(C)(C)O)cn4ncc(C#N)c34)cn2)C1
InChIInChI=1S/C30H31FN6O3/c1-19-5-7-22(31)11-24(19)28(38)35-30(4)9-10-36(17-30)26-8-6-20(14-33-26)25-12-23(40-18-29(2,3)39)16-37-27(25)21(13-32)15-34-37/h5-8,11-12,14-16,39H,9-10,17-18H2,1-4H3,(H,35,38)/t30-/m1/s1
InChIKeyRVVDGSDKAGJBET-SSEXGKCCSA-N
XLogP4.26
TPSA115.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.62
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(3R)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-5-fluoro-2-methylbenzamide with MolForge

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Related Compounds

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(17R)-20-amino-14-fluoro-5,9,17-trimethyl-10-oxo-18-oxa-5,6,9,21-tetrazatetracyclo[17.3.1.03,7.011,16]tricosa-1(23),3,6,11(16),12,14,19,21-octaene-4-carbonitrile
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4-(6-(3,6-Diazabicyclo[3.1.1]heptan-3-yl)pyridin-3-yl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[(3R)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-5-fluoro-2-methylbenzamide (CID 134435016) is N-[(3R)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[(3R)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[(3R)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)N[C@]1(C)CCN(c2ccc(-c3cc(OCC(C)(C)O)cn4ncc(C#N)c34)cn2)C1.
What is the InChIKey of N-[(3R)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-5-fluoro-2-methylbenzamide?
The InChIKey is RVVDGSDKAGJBET-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H31FN6O3/c1-19-5-7-22(31)11-24(19)28(38)35-30(4)9-10-36(17-30)26-8-6-20(14-33-26)25-12-23(40-18-29(2,3)39)16-37-27(25)21(13-32)15-34-37/h5-8,11-12,14-16,39H,9-10,17-18H2,1-4H3,(H,35,38)/t30-/m1/s1.
What are the key properties of N-[(3R)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-5-fluoro-2-methylbenzamide?
N-[(3R)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-5-fluoro-2-methylbenzamide has a molecular weight of 542.62 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 134435016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).