(3S)-1-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-4-pyridinyl]piperidin-3-amine

C17H20N6 — CID 71254040

IUPAC(3S)-1-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-4-pyridinyl]piperidin-3-amine
SMILESCc1[nH]nc2cnc(-c3cnccc3N3CCC[C@H](N)C3)cc12
InChIInChI=1S/C17H20N6/c1-11-13-7-15(20-9-16(13)22-21-11)14-8-19-5-4-17(14)23-6-2-3-12(18)10-23/h4-5,7-9,12H,2-3,6,10,18H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeyCTZLOSFKKPCJDH-LBPRGKRZSA-N
MW308.39 g/mol
LogP2.26
Rot. Bonds2

About (3S)-1-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-4-pyridinyl]piperidin-3-amine

(3S)-1-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-4-pyridinyl]piperidin-3-amine (PubChem CID 71254040) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is (3S)-1-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-4-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-4-pyridinyl]piperidin-3-amine
PubChem CID71254040
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name(3S)-1-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-4-pyridinyl]piperidin-3-amine
SMILESCc1[nH]nc2cnc(-c3cnccc3N3CCC[C@H](N)C3)cc12
InChIInChI=1S/C17H20N6/c1-11-13-7-15(20-9-16(13)22-21-11)14-8-19-5-4-17(14)23-6-2-3-12(18)10-23/h4-5,7-9,12H,2-3,6,10,18H2,1H3,(H,21,22)/t12-/m0/s1
InChIKeyCTZLOSFKKPCJDH-LBPRGKRZSA-N
XLogP2.26
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-4-pyridinyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-4-pyridinyl]piperidin-3-amine (CID 71254040) is (3S)-1-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-4-pyridinyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-4-pyridinyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-4-pyridinyl]piperidin-3-amine is Cc1[nH]nc2cnc(-c3cnccc3N3CCC[C@H](N)C3)cc12.
What is the InChIKey of (3S)-1-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-4-pyridinyl]piperidin-3-amine?
The InChIKey is CTZLOSFKKPCJDH-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N6/c1-11-13-7-15(20-9-16(13)22-21-11)14-8-19-5-4-17(14)23-6-2-3-12(18)10-23/h4-5,7-9,12H,2-3,6,10,18H2,1H3,(H,21,22)/t12-/m0/s1.
What are the key properties of (3S)-1-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-4-pyridinyl]piperidin-3-amine?
(3S)-1-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-4-pyridinyl]piperidin-3-amine has a molecular weight of 308.39 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-4-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 71254040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).