N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide

C23H29N7O4 — CID 51348622

IUPACN-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide
SMILESCc1cc2nc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc(N3CCC(NC(N)=O)CC3)n2n1
InChIInChI=1S/C23H29N7O4/c1-14-11-19-26-18(27-21(32)15-3-5-16(6-4-15)23(2,34)13-31)12-20(30(19)28-14)29-9-7-17(8-10-29)25-22(24)33/h3-6,11-12,17,31,34H,7-10,13H2,1-2H3,(H3,24,25,33)(H,26,27,32)/t23-/m0/s1
InChIKeyQYORETONJMURPB-QHCPKHFHSA-N
MW467.53 g/mol
LogP1.13
Rot. Bonds6

About N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide

N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide (PubChem CID 51348622) has the molecular formula C23H29N7O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide
PubChem CID51348622
Molecular FormulaC23H29N7O4
Molecular Weight467.53 g/mol
Exact Mass467.23
IUPAC NameN-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide
SMILESCc1cc2nc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc(N3CCC(NC(N)=O)CC3)n2n1
InChIInChI=1S/C23H29N7O4/c1-14-11-19-26-18(27-21(32)15-3-5-16(6-4-15)23(2,34)13-31)12-20(30(19)28-14)29-9-7-17(8-10-29)25-22(24)33/h3-6,11-12,17,31,34H,7-10,13H2,1-2H3,(H3,24,25,33)(H,26,27,32)/t23-/m0/s1
InChIKeyQYORETONJMURPB-QHCPKHFHSA-N
XLogP1.13
TPSA158.11 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 51.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide?
The IUPAC name of N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide (CID 51348622) is N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide.
What is the SMILES notation for N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide?
The canonical SMILES for N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide is Cc1cc2nc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc(N3CCC(NC(N)=O)CC3)n2n1.
What is the InChIKey of N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide?
The InChIKey is QYORETONJMURPB-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H29N7O4/c1-14-11-19-26-18(27-21(32)15-3-5-16(6-4-15)23(2,34)13-31)12-20(30(19)28-14)29-9-7-17(8-10-29)25-22(24)33/h3-6,11-12,17,31,34H,7-10,13H2,1-2H3,(H3,24,25,33)(H,26,27,32)/t23-/m0/s1.
What are the key properties of N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide?
N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide has a molecular weight of 467.53 g/mol, XLogP of 1.13, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide is sourced from PubChem (CID 51348622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).