N-[2-[4-(aminomethyl)piperidin-1-yl]-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H27N7O2 — CID 66665089

IUPACN-[2-[4-(aminomethyl)piperidin-1-yl]-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNCC1CCN(c2cc(C(=O)Nc3ccccc3)ccc2NC(=O)c2cnn3cccnc23)CC1
InChIInChI=1S/C26H27N7O2/c27-16-18-9-13-32(14-10-18)23-15-19(25(34)30-20-5-2-1-3-6-20)7-8-22(23)31-26(35)21-17-29-33-12-4-11-28-24(21)33/h1-8,11-12,15,17-18H,9-10,13-14,16,27H2,(H,30,34)(H,31,35)
InChIKeyCEOQQVRJCFJERM-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.41
Rot. Bonds6

About N-[2-[4-(aminomethyl)piperidin-1-yl]-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-[4-(aminomethyl)piperidin-1-yl]-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66665089) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)piperidin-1-yl]-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)piperidin-1-yl]-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66665089
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC NameN-[2-[4-(aminomethyl)piperidin-1-yl]-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNCC1CCN(c2cc(C(=O)Nc3ccccc3)ccc2NC(=O)c2cnn3cccnc23)CC1
InChIInChI=1S/C26H27N7O2/c27-16-18-9-13-32(14-10-18)23-15-19(25(34)30-20-5-2-1-3-6-20)7-8-22(23)31-26(35)21-17-29-33-12-4-11-28-24(21)33/h1-8,11-12,15,17-18H,9-10,13-14,16,27H2,(H,30,34)(H,31,35)
InChIKeyCEOQQVRJCFJERM-UHFFFAOYSA-N
XLogP3.41
TPSA117.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)piperidin-1-yl]-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-[4-(aminomethyl)piperidin-1-yl]-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66665089) is N-[2-[4-(aminomethyl)piperidin-1-yl]-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(aminomethyl)piperidin-1-yl]-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-[4-(aminomethyl)piperidin-1-yl]-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NCC1CCN(c2cc(C(=O)Nc3ccccc3)ccc2NC(=O)c2cnn3cccnc23)CC1.
What is the InChIKey of N-[2-[4-(aminomethyl)piperidin-1-yl]-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CEOQQVRJCFJERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2/c27-16-18-9-13-32(14-10-18)23-15-19(25(34)30-20-5-2-1-3-6-20)7-8-22(23)31-26(35)21-17-29-33-12-4-11-28-24(21)33/h1-8,11-12,15,17-18H,9-10,13-14,16,27H2,(H,30,34)(H,31,35).
What are the key properties of N-[2-[4-(aminomethyl)piperidin-1-yl]-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-[4-(aminomethyl)piperidin-1-yl]-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)piperidin-1-yl]-4-(phenylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66665089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).