(3S)-1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine

C21H23N9O — CID 72714479

IUPAC(3S)-1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine
SMILESCOc1ncc(-n2ncc3cnc(-c4cncc(C)n4)cc32)nc1N1CCC[C@H](N)C1
InChIInChI=1S/C21H23N9O/c1-13-7-23-10-17(27-13)16-6-18-14(8-24-16)9-26-30(18)19-11-25-21(31-2)20(28-19)29-5-3-4-15(22)12-29/h6-11,15H,3-5,12,22H2,1-2H3/t15-/m0/s1
InChIKeyCVOUMUUAQGOVCQ-HNNXBMFYSA-N
MW417.48 g/mol
LogP1.91
Rot. Bonds4

About (3S)-1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine

(3S)-1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine (PubChem CID 72714479) has the molecular formula C21H23N9O and a molecular weight of 417.48 g/mol. Its IUPAC name is (3S)-1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine
PubChem CID72714479
Molecular FormulaC21H23N9O
Molecular Weight417.48 g/mol
Exact Mass417.20
IUPAC Name(3S)-1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine
SMILESCOc1ncc(-n2ncc3cnc(-c4cncc(C)n4)cc32)nc1N1CCC[C@H](N)C1
InChIInChI=1S/C21H23N9O/c1-13-7-23-10-17(27-13)16-6-18-14(8-24-16)9-26-30(18)19-11-25-21(31-2)20(28-19)29-5-3-4-15(22)12-29/h6-11,15H,3-5,12,22H2,1-2H3/t15-/m0/s1
InChIKeyCVOUMUUAQGOVCQ-HNNXBMFYSA-N
XLogP1.91
TPSA120.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine?
The IUPAC name of (3S)-1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine (CID 72714479) is (3S)-1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine is COc1ncc(-n2ncc3cnc(-c4cncc(C)n4)cc32)nc1N1CCC[C@H](N)C1.
What is the InChIKey of (3S)-1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine?
The InChIKey is CVOUMUUAQGOVCQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N9O/c1-13-7-23-10-17(27-13)16-6-18-14(8-24-16)9-26-30(18)19-11-25-21(31-2)20(28-19)29-5-3-4-15(22)12-29/h6-11,15H,3-5,12,22H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine?
(3S)-1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine has a molecular weight of 417.48 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine is sourced from PubChem (CID 72714479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).