N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide

C25H32N6O4 — CID 121409225

IUPACN-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
SMILESC[C@H](CO)NC(=O)c1cc(N2CCC(c3c[nH]c4ncccc34)CC2)nc(OC[C@H]2CCCO2)n1
InChIInChI=1S/C25H32N6O4/c1-16(14-32)28-24(33)21-12-22(30-25(29-21)35-15-18-4-3-11-34-18)31-9-6-17(7-10-31)20-13-27-23-19(20)5-2-8-26-23/h2,5,8,12-13,16-18,32H,3-4,6-7,9-11,14-15H2,1H3,(H,26,27)(H,28,33)/t16-,18-/m1/s1
InChIKeyBZSNOXJVSKXHDI-SJLPKXTDSA-N
MW480.57 g/mol
LogP2.41
Rot. Bonds8

About N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide

N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 121409225) has the molecular formula C25H32N6O4 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID121409225
Molecular FormulaC25H32N6O4
Molecular Weight480.57 g/mol
Exact Mass480.25
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
SMILESC[C@H](CO)NC(=O)c1cc(N2CCC(c3c[nH]c4ncccc34)CC2)nc(OC[C@H]2CCCO2)n1
InChIInChI=1S/C25H32N6O4/c1-16(14-32)28-24(33)21-12-22(30-25(29-21)35-15-18-4-3-11-34-18)31-9-6-17(7-10-31)20-13-27-23-19(20)5-2-8-26-23/h2,5,8,12-13,16-18,32H,3-4,6-7,9-11,14-15H2,1H3,(H,26,27)(H,28,33)/t16-,18-/m1/s1
InChIKeyBZSNOXJVSKXHDI-SJLPKXTDSA-N
XLogP2.41
TPSA125.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide (CID 121409225) is N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide is C[C@H](CO)NC(=O)c1cc(N2CCC(c3c[nH]c4ncccc34)CC2)nc(OC[C@H]2CCCO2)n1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is BZSNOXJVSKXHDI-SJLPKXTDSA-N. The full InChI is InChI=1S/C25H32N6O4/c1-16(14-32)28-24(33)21-12-22(30-25(29-21)35-15-18-4-3-11-34-18)31-9-6-17(7-10-31)20-13-27-23-19(20)5-2-8-26-23/h2,5,8,12-13,16-18,32H,3-4,6-7,9-11,14-15H2,1H3,(H,26,27)(H,28,33)/t16-,18-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 121409225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).