[2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-3-pyridinyl]methanol

C22H24N8O — CID 86707109

IUPAC[2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-3-pyridinyl]methanol
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2ccc(CO)c(N3CCC[C@H](N)C3)n2)n1
InChIInChI=1S/C22H24N8O/c1-14-8-24-11-19(27-14)18-7-20-16(9-25-18)10-26-30(20)21-5-4-15(13-31)22(28-21)29-6-2-3-17(23)12-29/h4-5,7-11,17,31H,2-3,6,12-13,23H2,1H3/t17-/m0/s1
InChIKeyBZGCHCBKEVJNKB-KRWDZBQOSA-N
MW416.49 g/mol
LogP2.00
Rot. Bonds4

About [2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-3-pyridinyl]methanol

[2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-3-pyridinyl]methanol (PubChem CID 86707109) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is [2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-3-pyridinyl]methanol
PubChem CID86707109
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name[2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-3-pyridinyl]methanol
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2ccc(CO)c(N3CCC[C@H](N)C3)n2)n1
InChIInChI=1S/C22H24N8O/c1-14-8-24-11-19(27-14)18-7-20-16(9-25-18)10-26-30(20)21-5-4-15(13-31)22(28-21)29-6-2-3-17(23)12-29/h4-5,7-11,17,31H,2-3,6,12-13,23H2,1H3/t17-/m0/s1
InChIKeyBZGCHCBKEVJNKB-KRWDZBQOSA-N
XLogP2.00
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(S)-1-(6-(3-methylpiperazin-1-yl)pyridin-2-yl)-6-(5-(oxetan-3-yl)pyridin-3-yl)-1H-pyrazolo[4,3-c]pyridine
CID 72715135
N-ethyl-6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-amine
CID 89914090
6-(6-Ethynylpyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
CID 89914096
3-(6-(piperazin-1-yl)pyridin-2-yl)-5-(tetrahydro-2H-pyran-3-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71254005
1-[6-(1,4-Diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine
CID 72715291
[4-[(1-Benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methanol
CID 21945809
(3-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)phenyl)methanol
CID 71451823
US10336761, Example 309
CID 126484202
US10023576, Example 62
CID 130362899
7-[2-(4-Methylpiperazin-1-yl)-4-pyridinyl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 132209432
US10336761, Example 126
CID 135262382
(3S)-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine
CID 72714383

Frequently Asked Questions

What is the IUPAC name of [2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-3-pyridinyl]methanol?
The IUPAC name of [2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-3-pyridinyl]methanol (CID 86707109) is [2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-3-pyridinyl]methanol?
The canonical SMILES for [2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-3-pyridinyl]methanol is Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(CO)c(N3CCC[C@H](N)C3)n2)n1.
What is the InChIKey of [2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-3-pyridinyl]methanol?
The InChIKey is BZGCHCBKEVJNKB-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N8O/c1-14-8-24-11-19(27-14)18-7-20-16(9-25-18)10-26-30(20)21-5-4-15(13-31)22(28-21)29-6-2-3-17(23)12-29/h4-5,7-11,17,31H,2-3,6,12-13,23H2,1H3/t17-/m0/s1.
What are the key properties of [2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-3-pyridinyl]methanol?
[2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-3-pyridinyl]methanol has a molecular weight of 416.49 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 86707109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).