(7R)-N-[3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

C25H30N12O — CID 156866728

IUPAC(7R)-N-[3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5C[C@@H](C)N[C@@H](C)C5)ncn4)c3c2)[C@@H](C)n2nnnc2N1C
InChIInChI=1S/C25H30N12O/c1-13-10-36(11-14(2)28-13)21-9-20(26-12-27-21)23-18-8-17(6-7-19(18)30-31-23)29-24(38)22-15(3)35(5)25-32-33-34-37(25)16(22)4/h6-9,12-14,16,28H,10-11H2,1-5H3,(H,29,38)(H,30,31)/t13-,14+,16-/m1/s1
InChIKeyXGPFARIJLVINHC-IJEWVQPXSA-N
MW514.60 g/mol
LogP2.12
Rot. Bonds4

About (7R)-N-[3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

(7R)-N-[3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 156866728) has the molecular formula C25H30N12O and a molecular weight of 514.60 g/mol. Its IUPAC name is (7R)-N-[3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7R)-N-[3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID156866728
Molecular FormulaC25H30N12O
Molecular Weight514.60 g/mol
Exact Mass514.27
IUPAC Name(7R)-N-[3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5C[C@@H](C)N[C@@H](C)C5)ncn4)c3c2)[C@@H](C)n2nnnc2N1C
InChIInChI=1S/C25H30N12O/c1-13-10-36(11-14(2)28-13)21-9-20(26-12-27-21)23-18-8-17(6-7-19(18)30-31-23)29-24(38)22-15(3)35(5)25-32-33-34-37(25)16(22)4/h6-9,12-14,16,28H,10-11H2,1-5H3,(H,29,38)(H,30,31)/t13-,14+,16-/m1/s1
InChIKeyXGPFARIJLVINHC-IJEWVQPXSA-N
XLogP2.12
TPSA145.67 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.60
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze (7R)-N-[3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-N-[3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7R)-N-[3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 156866728) is (7R)-N-[3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7R)-N-[3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7R)-N-[3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5C[C@@H](C)N[C@@H](C)C5)ncn4)c3c2)[C@@H](C)n2nnnc2N1C.
What is the InChIKey of (7R)-N-[3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is XGPFARIJLVINHC-IJEWVQPXSA-N. The full InChI is InChI=1S/C25H30N12O/c1-13-10-36(11-14(2)28-13)21-9-20(26-12-27-21)23-18-8-17(6-7-19(18)30-31-23)29-24(38)22-15(3)35(5)25-32-33-34-37(25)16(22)4/h6-9,12-14,16,28H,10-11H2,1-5H3,(H,29,38)(H,30,31)/t13-,14+,16-/m1/s1.
What are the key properties of (7R)-N-[3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
(7R)-N-[3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 514.60 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-[3-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 156866728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).