6-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carbonyl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

C20H29N7O2 — CID 146110997

IUPAC6-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carbonyl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCc1nc(C(=O)N2CCc3c(n(C)[nH]c3=O)C2)nc(N2CC[C@@H](N(C)C)C2)c1C
InChIInChI=1S/C20H29N7O2/c1-12-13(2)21-17(22-18(12)26-8-6-14(10-26)24(3)4)20(29)27-9-7-15-16(11-27)25(5)23-19(15)28/h14H,6-11H2,1-5H3,(H,23,28)/t14-/m1/s1
InChIKeyOIKSCNLQQYUGLP-CQSZACIVSA-N
MW399.50 g/mol
LogP0.46
Rot. Bonds3

About 6-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carbonyl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

6-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carbonyl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 146110997) has the molecular formula C20H29N7O2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 6-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carbonyl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carbonyl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID146110997
Molecular FormulaC20H29N7O2
Molecular Weight399.50 g/mol
Exact Mass399.24
IUPAC Name6-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carbonyl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCc1nc(C(=O)N2CCc3c(n(C)[nH]c3=O)C2)nc(N2CC[C@@H](N(C)C)C2)c1C
InChIInChI=1S/C20H29N7O2/c1-12-13(2)21-17(22-18(12)26-8-6-14(10-26)24(3)4)20(29)27-9-7-15-16(11-27)25(5)23-19(15)28/h14H,6-11H2,1-5H3,(H,23,28)/t14-/m1/s1
InChIKeyOIKSCNLQQYUGLP-CQSZACIVSA-N
XLogP0.46
TPSA90.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carbonyl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carbonyl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 146110997) is 6-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carbonyl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carbonyl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carbonyl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is Cc1nc(C(=O)N2CCc3c(n(C)[nH]c3=O)C2)nc(N2CC[C@@H](N(C)C)C2)c1C.
What is the InChIKey of 6-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carbonyl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is OIKSCNLQQYUGLP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H29N7O2/c1-12-13(2)21-17(22-18(12)26-8-6-14(10-26)24(3)4)20(29)27-9-7-15-16(11-27)25(5)23-19(15)28/h14H,6-11H2,1-5H3,(H,23,28)/t14-/m1/s1.
What are the key properties of 6-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carbonyl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
6-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carbonyl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 399.50 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carbonyl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 146110997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).