tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(3S)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

C26H33N7O5 — CID 137457432

About tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(3S)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(3S)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (PubChem CID 137457432) has the molecular formula C26H33N7O5 and a molecular weight of 523.59 g/mol. Its IUPAC name is tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(3S)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(3S)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
• PubChem CID: 137457432
• Molecular Formula: C26H33N7O5
• Molecular Weight: 523.59 g/mol
• Exact Mass: 523.25
• IUPAC Name: tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(3S)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
• SMILES: CN(C(=O)OC(C)(C)C)c1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)NC3CC[C@H](O)C3)cnn12
• InChI: InChI=1S/C26H33N7O5/c1-26(2,3)38-25(36)32(4)21-13-20(30-19-6-5-11-27-24(19)37-17-9-10-17)31-22-18(14-28-33(21)22)23(35)29-15-7-8-16(34)12-15/h5-6,11,13-17,34H,7-10,12H2,1-4H3,(H,29,35)(H,30,31)/t15?,16-/m0/s1
• InChIKey: RXJVKSIGCYFCBI-LYKKTTPLSA-N
• XLogP: 3.42
• TPSA: 143.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.59
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(3S)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(3S)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (CID 137457432) is tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(3S)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(3S)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(3S)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)NC3CC[C@H](O)C3)cnn12.

What is the InChIKey of tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(3S)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

The InChIKey is RXJVKSIGCYFCBI-LYKKTTPLSA-N. The full InChI is InChI=1S/C26H33N7O5/c1-26(2,3)38-25(36)32(4)21-13-20(30-19-6-5-11-27-24(19)37-17-9-10-17)31-22-18(14-28-33(21)22)23(35)29-15-7-8-16(34)12-15/h5-6,11,13-17,34H,7-10,12H2,1-4H3,(H,29,35)(H,30,31)/t15?,16-/m0/s1.

What are the key properties of tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(3S)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(3S)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate has a molecular weight of 523.59 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(3S)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is sourced from PubChem (CID 137457432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).