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

C20H20ClN9 — CID 86707122

IUPAC(3S)-1-[3-chloro-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2cnc(Cl)c(N3CCC[C@H](N)C3)n2)n1
InChIInChI=1S/C20H20ClN9/c1-12-6-23-9-16(27-12)15-5-17-13(7-24-15)8-26-30(17)18-10-25-19(21)20(28-18)29-4-2-3-14(22)11-29/h5-10,14H,2-4,11,22H2,1H3/t14-/m0/s1
InChIKeyCWVPFBCGDKVIPY-AWEZNQCLSA-N
MW421.90 g/mol
LogP2.56
Rot. Bonds3

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

(3S)-1-[3-chloro-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine (PubChem CID 86707122) has the molecular formula C20H20ClN9 and a molecular weight of 421.90 g/mol. Its IUPAC name is (3S)-1-[3-chloro-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-chloro-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine
PubChem CID86707122
Molecular FormulaC20H20ClN9
Molecular Weight421.90 g/mol
Exact Mass421.15
IUPAC Name(3S)-1-[3-chloro-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2cnc(Cl)c(N3CCC[C@H](N)C3)n2)n1
InChIInChI=1S/C20H20ClN9/c1-12-6-23-9-16(27-12)15-5-17-13(7-24-15)8-26-30(17)18-10-25-19(21)20(28-18)29-4-2-3-14(22)11-29/h5-10,14H,2-4,11,22H2,1H3/t14-/m0/s1
InChIKeyCWVPFBCGDKVIPY-AWEZNQCLSA-N
XLogP2.56
TPSA111.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.90
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-chloro-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-chloro-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine (CID 86707122) is (3S)-1-[3-chloro-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-chloro-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-chloro-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine is Cc1cncc(-c2cc3c(cn2)cnn3-c2cnc(Cl)c(N3CCC[C@H](N)C3)n2)n1.
What is the InChIKey of (3S)-1-[3-chloro-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine?
The InChIKey is CWVPFBCGDKVIPY-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20ClN9/c1-12-6-23-9-16(27-12)15-5-17-13(7-24-15)8-26-30(17)18-10-25-19(21)20(28-18)29-4-2-3-14(22)11-29/h5-10,14H,2-4,11,22H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-1-[3-chloro-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine?
(3S)-1-[3-chloro-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine has a molecular weight of 421.90 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-chloro-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-amine is sourced from PubChem (CID 86707122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).