N-[5-[4-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazol-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H27N7O4 — CID 155539650

IUPACN-[5-[4-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazol-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc2oc(N3CCOCC3)nc2cc1N1CCC(CO)CC1)c1cnn2cccnc12
InChIInChI=1S/C24H27N7O4/c32-15-16-2-6-29(7-3-16)20-12-19-21(35-24(28-19)30-8-10-34-11-9-30)13-18(20)27-23(33)17-14-26-31-5-1-4-25-22(17)31/h1,4-5,12-14,16,32H,2-3,6-11,15H2,(H,27,33)
InChIKeyPFCFMZHQWUDEEB-UHFFFAOYSA-N
MW477.53 g/mol
LogP2.17
Rot. Bonds5

About N-[5-[4-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazol-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[4-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazol-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155539650) has the molecular formula C24H27N7O4 and a molecular weight of 477.53 g/mol. Its IUPAC name is N-[5-[4-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazol-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazol-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155539650
Molecular FormulaC24H27N7O4
Molecular Weight477.53 g/mol
Exact Mass477.21
IUPAC NameN-[5-[4-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazol-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc2oc(N3CCOCC3)nc2cc1N1CCC(CO)CC1)c1cnn2cccnc12
InChIInChI=1S/C24H27N7O4/c32-15-16-2-6-29(7-3-16)20-12-19-21(35-24(28-19)30-8-10-34-11-9-30)13-18(20)27-23(33)17-14-26-31-5-1-4-25-22(17)31/h1,4-5,12-14,16,32H,2-3,6-11,15H2,(H,27,33)
InChIKeyPFCFMZHQWUDEEB-UHFFFAOYSA-N
XLogP2.17
TPSA121.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazol-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[4-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazol-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155539650) is N-[5-[4-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazol-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[4-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazol-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[4-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazol-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc2oc(N3CCOCC3)nc2cc1N1CCC(CO)CC1)c1cnn2cccnc12.
What is the InChIKey of N-[5-[4-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazol-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PFCFMZHQWUDEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O4/c32-15-16-2-6-29(7-3-16)20-12-19-21(35-24(28-19)30-8-10-34-11-9-30)13-18(20)27-23(33)17-14-26-31-5-1-4-25-22(17)31/h1,4-5,12-14,16,32H,2-3,6-11,15H2,(H,27,33).
What are the key properties of N-[5-[4-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazol-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[4-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazol-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 477.53 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(hydroxymethyl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazol-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155539650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).