4-[5-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C22H21N9 — CID 164818273

IUPAC4-[5-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3cnc(N4CC5C(CN)C5C4)cn3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C22H21N9/c1-29-9-15(6-27-29)13-2-16(22-14(3-23)5-28-31(22)10-13)20-7-26-21(8-25-20)30-11-18-17(4-24)19(18)12-30/h2,5-10,17-19H,4,11-12,24H2,1H3
InChIKeyMXBXMRNOMFOPDW-UHFFFAOYSA-N
MW411.47 g/mol
LogP1.70
Rot. Bonds4

About 4-[5-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[5-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164818273) has the molecular formula C22H21N9 and a molecular weight of 411.47 g/mol. Its IUPAC name is 4-[5-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[5-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID164818273
Molecular FormulaC22H21N9
Molecular Weight411.47 g/mol
Exact Mass411.19
IUPAC Name4-[5-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3cnc(N4CC5C(CN)C5C4)cn3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C22H21N9/c1-29-9-15(6-27-29)13-2-16(22-14(3-23)5-28-31(22)10-13)20-7-26-21(8-25-20)30-11-18-17(4-24)19(18)12-30/h2,5-10,17-19H,4,11-12,24H2,1H3
InChIKeyMXBXMRNOMFOPDW-UHFFFAOYSA-N
XLogP1.70
TPSA113.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[5-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 164818167
4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
CID 155388164
6-(1-methylpyrazol-4-yl)-4-[5-(4-prop-2-ynoylpiperazin-1-yl)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164754963
4-[5-[(3aS,6aR)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyrazin-2-yl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155406025
tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]piperazine-1-carboxylate
CID 140882208
N-[[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-methylbutanamide
CID 155406302
4-[5-[(3aR,6aS)-5-(2-chloro-6-fluorophenyl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155406384
4-[6-[3-(3-methylbutanoyl)azetidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 148588612
4-[6-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155388179
N-[[(1S,5R)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-5-fluoro-2-methylbenzamide
CID 164818181
N-[[(1S,5R)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-methoxypyridine-2-carboxamide
CID 164818262
tert-butyl 3-[5-[3-cyano-6-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CID 155576270

Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[5-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164818273) is 4-[5-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[5-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[5-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3cnc(N4CC5C(CN)C5C4)cn3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 4-[5-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is MXBXMRNOMFOPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9/c1-29-9-15(6-27-29)13-2-16(22-14(3-23)5-28-31(22)10-13)20-7-26-21(8-25-20)30-11-18-17(4-24)19(18)12-30/h2,5-10,17-19H,4,11-12,24H2,1H3.
What are the key properties of 4-[5-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[5-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 411.47 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164818273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).