(3R,5S)-N,N,3,5-tetramethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxamide

C24H34N10O — CID 146449040

IUPAC(3R,5S)-N,N,3,5-tetramethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ccc(-c3n[nH]c4cnc(N5[C@H](C)CN(C(=O)N(C)C)C[C@@H]5C)nc34)cn2)CCN1
InChIInChI=1S/C24H34N10O/c1-15-12-32(9-8-25-15)20-7-6-18(10-26-20)21-22-19(29-30-21)11-27-23(28-22)34-16(2)13-33(14-17(34)3)24(35)31(4)5/h6-7,10-11,15-17,25H,8-9,12-14H2,1-5H3,(H,29,30)/t15-,16-,17+/m1/s1
InChIKeyRWYJMMHOMKOPEY-ZACQAIPSSA-N
MW478.61 g/mol
LogP1.79
Rot. Bonds3

About (3R,5S)-N,N,3,5-tetramethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxamide

(3R,5S)-N,N,3,5-tetramethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxamide (PubChem CID 146449040) has the molecular formula C24H34N10O and a molecular weight of 478.61 g/mol. Its IUPAC name is (3R,5S)-N,N,3,5-tetramethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N,N,3,5-tetramethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxamide
PubChem CID146449040
Molecular FormulaC24H34N10O
Molecular Weight478.61 g/mol
Exact Mass478.29
IUPAC Name(3R,5S)-N,N,3,5-tetramethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ccc(-c3n[nH]c4cnc(N5[C@H](C)CN(C(=O)N(C)C)C[C@@H]5C)nc34)cn2)CCN1
InChIInChI=1S/C24H34N10O/c1-15-12-32(9-8-25-15)20-7-6-18(10-26-20)21-22-19(29-30-21)11-27-23(28-22)34-16(2)13-33(14-17(34)3)24(35)31(4)5/h6-7,10-11,15-17,25H,8-9,12-14H2,1-5H3,(H,29,30)/t15-,16-,17+/m1/s1
InChIKeyRWYJMMHOMKOPEY-ZACQAIPSSA-N
XLogP1.79
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R,5S)-N,N,3,5-tetramethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N,N,3,5-tetramethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxamide?
The IUPAC name of (3R,5S)-N,N,3,5-tetramethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxamide (CID 146449040) is (3R,5S)-N,N,3,5-tetramethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxamide.
What is the SMILES notation for (3R,5S)-N,N,3,5-tetramethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxamide?
The canonical SMILES for (3R,5S)-N,N,3,5-tetramethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxamide is C[C@@H]1CN(c2ccc(-c3n[nH]c4cnc(N5[C@H](C)CN(C(=O)N(C)C)C[C@@H]5C)nc34)cn2)CCN1.
What is the InChIKey of (3R,5S)-N,N,3,5-tetramethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxamide?
The InChIKey is RWYJMMHOMKOPEY-ZACQAIPSSA-N. The full InChI is InChI=1S/C24H34N10O/c1-15-12-32(9-8-25-15)20-7-6-18(10-26-20)21-22-19(29-30-21)11-27-23(28-22)34-16(2)13-33(14-17(34)3)24(35)31(4)5/h6-7,10-11,15-17,25H,8-9,12-14H2,1-5H3,(H,29,30)/t15-,16-,17+/m1/s1.
What are the key properties of (3R,5S)-N,N,3,5-tetramethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxamide?
(3R,5S)-N,N,3,5-tetramethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxamide has a molecular weight of 478.61 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N,N,3,5-tetramethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxamide is sourced from PubChem (CID 146449040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).