(2R)-2-[1-[6-[(3R,5S)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile

C24H27N7O — CID 162451568

IUPAC(2R)-2-[1-[6-[(3R,5S)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESC[C@@H]1CN(c2cc(-n3ncc4cnc([C@@]5(C#N)CC56CC6)cc43)ncn2)C[C@H](C)C1(C)O
InChIInChI=1S/C24H27N7O/c1-15-10-30(11-16(2)22(15,3)32)20-7-21(28-14-27-20)31-18-6-19(26-8-17(18)9-29-31)24(13-25)12-23(24)4-5-23/h6-9,14-16,32H,4-5,10-12H2,1-3H3/t15-,16+,22?,24-/m0/s1
InChIKeyZREOKKVEXHCISB-OYSIKEJKSA-N
MW429.53 g/mol
LogP3.00
Rot. Bonds3

About (2R)-2-[1-[6-[(3R,5S)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile

(2R)-2-[1-[6-[(3R,5S)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile (PubChem CID 162451568) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is (2R)-2-[1-[6-[(3R,5S)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile.

Molecular Properties

Compound Name(2R)-2-[1-[6-[(3R,5S)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile
PubChem CID162451568
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name(2R)-2-[1-[6-[(3R,5S)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESC[C@@H]1CN(c2cc(-n3ncc4cnc([C@@]5(C#N)CC56CC6)cc43)ncn2)C[C@H](C)C1(C)O
InChIInChI=1S/C24H27N7O/c1-15-10-30(11-16(2)22(15,3)32)20-7-21(28-14-27-20)31-18-6-19(26-8-17(18)9-29-31)24(13-25)12-23(24)4-5-23/h6-9,14-16,32H,4-5,10-12H2,1-3H3/t15-,16+,22?,24-/m0/s1
InChIKeyZREOKKVEXHCISB-OYSIKEJKSA-N
XLogP3.00
TPSA103.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-[6-[(3R,5S)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile?
The IUPAC name of (2R)-2-[1-[6-[(3R,5S)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile (CID 162451568) is (2R)-2-[1-[6-[(3R,5S)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile.
What is the SMILES notation for (2R)-2-[1-[6-[(3R,5S)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile?
The canonical SMILES for (2R)-2-[1-[6-[(3R,5S)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile is C[C@@H]1CN(c2cc(-n3ncc4cnc([C@@]5(C#N)CC56CC6)cc43)ncn2)C[C@H](C)C1(C)O.
What is the InChIKey of (2R)-2-[1-[6-[(3R,5S)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile?
The InChIKey is ZREOKKVEXHCISB-OYSIKEJKSA-N. The full InChI is InChI=1S/C24H27N7O/c1-15-10-30(11-16(2)22(15,3)32)20-7-21(28-14-27-20)31-18-6-19(26-8-17(18)9-29-31)24(13-25)12-23(24)4-5-23/h6-9,14-16,32H,4-5,10-12H2,1-3H3/t15-,16+,22?,24-/m0/s1.
What are the key properties of (2R)-2-[1-[6-[(3R,5S)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile?
(2R)-2-[1-[6-[(3R,5S)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile has a molecular weight of 429.53 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-[6-[(3R,5S)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile is sourced from PubChem (CID 162451568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).