N-(2-hydroxycyclobutyl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide

C26H32N6O4 — CID 126680789

IUPACN-(2-hydroxycyclobutyl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide
SMILESO=C(NC1CCC1O)c1cc(N2CCC(C3=NCc4ncccc43)CC2)nc(OC[C@H]2CCCO2)n1
InChIInChI=1S/C26H32N6O4/c33-22-6-5-19(22)29-25(34)20-13-23(31-26(30-20)36-15-17-3-2-12-35-17)32-10-7-16(8-11-32)24-18-4-1-9-27-21(18)14-28-24/h1,4,9,13,16-17,19,22,33H,2-3,5-8,10-12,14-15H2,(H,29,34)/t17-,19?,22?/m1/s1
InChIKeyPSNQWUOHQKMLJK-BWDFOLQRSA-N
MW492.58 g/mol
LogP1.90
Rot. Bonds7

About N-(2-hydroxycyclobutyl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide

N-(2-hydroxycyclobutyl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 126680789) has the molecular formula C26H32N6O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-(2-hydroxycyclobutyl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclobutyl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID126680789
Molecular FormulaC26H32N6O4
Molecular Weight492.58 g/mol
Exact Mass492.25
IUPAC NameN-(2-hydroxycyclobutyl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide
SMILESO=C(NC1CCC1O)c1cc(N2CCC(C3=NCc4ncccc43)CC2)nc(OC[C@H]2CCCO2)n1
InChIInChI=1S/C26H32N6O4/c33-22-6-5-19(22)29-25(34)20-13-23(31-26(30-20)36-15-17-3-2-12-35-17)32-10-7-16(8-11-32)24-18-4-1-9-27-21(18)14-28-24/h1,4,9,13,16-17,19,22,33H,2-3,5-8,10-12,14-15H2,(H,29,34)/t17-,19?,22?/m1/s1
InChIKeyPSNQWUOHQKMLJK-BWDFOLQRSA-N
XLogP1.90
TPSA122.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclobutyl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-hydroxycyclobutyl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide (CID 126680789) is N-(2-hydroxycyclobutyl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclobutyl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxycyclobutyl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide is O=C(NC1CCC1O)c1cc(N2CCC(C3=NCc4ncccc43)CC2)nc(OC[C@H]2CCCO2)n1.
What is the InChIKey of N-(2-hydroxycyclobutyl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is PSNQWUOHQKMLJK-BWDFOLQRSA-N. The full InChI is InChI=1S/C26H32N6O4/c33-22-6-5-19(22)29-25(34)20-13-23(31-26(30-20)36-15-17-3-2-12-35-17)32-10-7-16(8-11-32)24-18-4-1-9-27-21(18)14-28-24/h1,4,9,13,16-17,19,22,33H,2-3,5-8,10-12,14-15H2,(H,29,34)/t17-,19?,22?/m1/s1.
What are the key properties of N-(2-hydroxycyclobutyl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
N-(2-hydroxycyclobutyl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclobutyl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 126680789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).